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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009345.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009345
_chemical_name 'Burkeite'
loop_
_publ_author_name
'Giuseppetti G'
'Mazzi F'
'Tadini C'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1988
_journal_year 1988
_journal_page_first 203
_journal_page_last 221
_publ_section_title
;
 The crystal structure of synthetic burkeite Na4SO4(CO3)t(SO4)1-t
 Sample A
 Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond leng
 Locality: synthetic
;
_chemical_formula_sum 'Na3 C.61 S.89 O3.5'
_cell_length_a 5.170
_cell_length_b 9.217
_cell_length_c 7.058
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 336.327
_symmetry_space_group_name_H-M 'P m n m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,z'
  '1/2+x,-y,1/2-z'
  'x,y,-z'
  '1/2-x,-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '-x,y,-z'
  '1/2-x,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Na1   0.25000   0.75090   0.00510   1.00000   0.02837
Na2   0.25000   0.42540   0.25000   1.00000   0.06915
Na3   0.75000   0.87540   0.25000   1.00000   0.02774
CT1   0.75000   0.55840   0.25000   0.61000   0.02039
ST1   0.75000   0.55840   0.25000   0.39000   0.02039
ST2   0.29510   0.09130   0.25000   0.50000   0.01469
O1   0.75000   0.42260   0.25000   0.85000   0.04813
O2   0.53570   0.64030   0.25000   0.88000   0.03673
O3   0.75000  -0.46930   0.08190   0.15000   0.06966
O4   0.93070   0.58090   0.09510   0.12000   0.07599
O5   0.19270  -0.16450   0.08150   0.50000   0.03166
O6   0.21640  -0.06320   0.25000   0.50000   0.01900
O7   0.57980   0.10570   0.25000   0.50000   0.02786